5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C11H17ClN4O2 — CID 136979762

IUPAC5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,13,14,18)
InChIKeySBHIYPWTCQIUEZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP-0.08
Rot. Bonds3

About 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979762) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979762
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,13,14,18)
InChIKeySBHIYPWTCQIUEZ-UHFFFAOYSA-N
XLogP-0.08
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781031
5-chloro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781039
5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900935
5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900944
5-chloro-4-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136933997
4-[(2-amino-3-hydroxybutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136978334
5-chloro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979582
5-chloro-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136979662
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979759
5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979761
5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979764
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136979762) is 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is CN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is SBHIYPWTCQIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,13,14,18).
What are the key properties of 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 272.74 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).